[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methylphosphonic acid

Systemtic Name: [3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methylphosphonic acid Openeye Name: [3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methylphosphonic acid CAS Name: [3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methylphosphonic acid IUPAC Name: [3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methylphosphonic acid Traditional Name: [3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]benzyl]phosphonic acid Formula: C17H22N5O5P MolecularWeight: 407.360841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CP(=O)(O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CP(=O)(O)O

InChI

InChI=1S/C17H22N5O5P/c1-2-3-7-27-16-20-14(18)13-15(21-16)22(17(23)19-13)9-11-5-4-6-12(8-11)10-28(24,25)26/h4-6,8H,2-3,7,9-10H2,1H3,(H,19,23)(H2,18,20,21)(H2,24,25,26)